SCHEMBL3326084

SCHEMBL3326084

O=C(ON1CCC[C@H](COc2cccc(F)c2Oc2ccc(F)cc2)C1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
KDM2B Q8NHM5 1/20 0.38
LPAR1 Q92633 3/20 0.37
LPAR5 Q9H1C0 3/20 0.37
TTR P02766 4/20 0.37
RBP4 P02753 3/20 0.37
PPARA Q07869 1/20 0.36
FFAR1 O14842 1/20 0.36
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
FAAH O00519 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28946375 0.76 HCRTR1 (0.46) HCRTR1HCRTR2
Trifluoroacetic Acid SCHEMBL3326076 0.76 SCN9A (0.42) LPAR1LPAR5
SCHEMBL3325256 0.71 SLC6A2 (0.47)
SCHEMBL3325259 0.71 SLC6A2 (0.47)
SCHEMBL3320820 0.70 RBP4 (0.40) HCRTR1HCRTR2KDM2BLPAR1LPAR5
SCHEMBL28129909 0.67 SCN9A (0.43) HCRTR1HCRTR2TTRRBP4
SCHEMBL8330673 0.67 CHRNB4 (0.34)
SCHEMBL27751590 0.67 RBP4 (0.43) KDM2BTTRRBP4LMNASMN1; SMN2
SCHEMBL28095478 0.66 ALDH1A1 (0.48) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL27833492 0.66 ALDH1A1 (0.48) HCRTR1HCRTR2SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120858-A1 Piperidine Derivatives PFIZER INC. 2010-05-13 US disclosed
EP-2066630-A1 PIPERIDINE DERIVATIVES Pfizer Products Incorporated (US) 2009-06-10 EP disclosed
WO-2008023258-A1 PIPERIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100120858-A1 Piperidine Derivatives P2RX5, P2RX7, P2RX1 HCRTR1 918/4885HCRTR2 2201/4885KDM2B 523/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.